Molecular aspects of biotechnology : Computational models and theories
著者
書誌事項
Molecular aspects of biotechnology : Computational models and theories
（NATO ASI series, Series C . Mathematical and physical sciences ; vol. 368）
Kluwer Academic, c1992
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注記
Includes index
"Proceedings of the NATO Advanced Research Workshop on the Role of Computational Models and Theories in Biotechnology, Sant Feliu de Guíxols, Spain, 13-19 June 1991"--T.p. verso
内容説明・目次
内容説明
Although biotechnology emerged from the genetic engineering revolution of the 1970s, the knowledge of the structure of genes revealed its molecular aspects. Molecular biotechnology is a multidisciplinary domain of research in which experiments, simulations and theories interact. At present, the huge increase in computer power allows one to carry out numerical simulations of biochemical systems. However, a fundamental question appears concerning the sophistication of the model utilized to capture the main features of biomolecules and biochemical processes. In this text, a group of specialists in molecular biotechnology aim to provide an answer to this question. This book should be useful for researchers who wish to know the state-of-the-art in this domain. It spans the range from molecular conformations through protein folding and form chemical reactivity through enzymatic action. Furthermore, it formulates recommendations for future research in molecular biotechnology.
目次
- Conformational energy calculations on polypeptides and proteins
- computer modelling of constrained peptide systems
- peptide conformational potential energy surfaces and their relevance to protein folding
- dynamic shape analysis of biomolecules using topological shape code
- computer simulation of biomolecules - comparison with experimental data
- molecular dynamics computer modelling and protein engineering
- structural specificity in the engineering of biological functions - insights from the dynamics of calmodulin
- simulations of proton transfer and hydride transfer reactions in proteins
- reaction dynamics in polyatomic molecular systems - some approaches for constructing potential energy surfaces and incorporating quantum effects in classical trajectory simulations
- a strategy for modelling of chemical reactivity using MC-SCF and MM-VB methods
- challenges in computer modeling complex molecular systems
- theoretical study of the catalyzed hydration of CO2 by carbonic anhydrase - a brief overview
- ab initio studies and quantum-classical molecular dynamics simulations for proton transfer processes in model systems and in enzymes.
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